3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one

• Catalog Number: ACM82543166
• Product Name: 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
• CAS: 82543-16-6
• Category: Steroidal Compounds
• Synonyms: 6,7,15,16-Dimethylene-3,5-dihydroxyandrostan-17-one; 6,7,15,16 dimethylen 3,5,dihydroxy androstan 17 dion; 6b,7b,15b,16b-Dimethylene-3b,5b-dihydroxyandrostan-17-one; 3,5-DIHYDROXY-6,7:15,16-DIMETHYLENE-5-ANDROSTAN-17-ONE
• IUPAC Name: 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
• Molecular Weight: 330.46
• Molecular Formula: C₂₁H₃₀O₃
• Canonical SMILES: CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O
• InChI Key: GWUFXQIQXPASJU-VJWUOOCFSA-N
• Boiling Point: 476.6ºC at 760 mmHg
• Melting Point: 205-207ºC
• Flash Point: 256.2ºC
• Density: 1.205g/cm³
• Appearance: white solid
• EC Number: 617-347-4
• Exact Mass: 330.21900

Custom Q&A

What is the molecular formula of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The molecular formula is C21H30O3.

What is the molecular weight of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The molecular weight is 330.5 g/mol.

What is the IUPAC name of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The IUPAC name is (1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one.

What is the InChI of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The InChI is InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1.

What is the InChIKey of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The InChIKey is GWUFXQIQXPASJU-VJWUOOCFSA-N.

What is the canonical SMILES of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?

The canonical SMILES is CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O.

How many hydrogen bond donor count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?

It has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?

It has 3 hydrogen bond acceptor count.

How many rotatable bond count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?

It has 0 rotatable bond count.